2',5,17',23',27',36',37'-Heptahydroxy-10',36'-bis(hydroxymethyl)-1-(3-methoxypropyl)-34'-methyl-27'-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[2-azatricyclo[10.2.1.04,8]pentadec-9-yne-6,12'-3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene]-39',43'-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2',5,17',23',27',36',37'-Heptahydroxy-10',36'-bis(hydroxymethyl)-1-(3-methoxypropyl)-34'-methyl-27'-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[2-azatricyclo[10.2.1.04,8]pentadec-9-yne-6,12'-3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene]-39',43'-dione
• 英文别名: 2',5,17',23',27',36',37'-heptahydroxy-10',36'-bis(hydroxymethyl)-1-(3-methoxypropyl)-34'-methyl-27'-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[2-azatricyclo[10.2.1.04,8]pentadec-9-yne-6,12'-3,4-dithia-14-azanonacyclo[21.15.3.111,14.115,19.01,34.06,11.022,26.022,31.033,41]tritetraconta-15,17,19(42),29,40-pentaene]-39',43'-dione
• 化学式: C₆₇H₉₄N₂O₁₃S₂
• 分子量: 1199.6
• InChiKey: XNPPCXYQFPLGOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  84
• 可旋转键数：
  9
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16